1,2-Epoxy-3,4-dihydroxy-1,2,3,4-tetrahydrobenzo(c)phenanthrene
Grundinformationen
- CAS
111001-48-0- Standard-SMILES
OC1c2ccc3ccc4ccccc4c3c2C2OC2C1O- InChIKey
QGMAOLZIDYVIDK-UHFFFAOYSA-N- Summenformel
- C18H14O3
- Durchschnittliche Molmasse
- 278,3 g/mol
- Monoisotopische Masse
- 278,0942943
Überblick
RN given refers to compound with no isomeric designation; do not confuse with the tetrahydrobenz(a)anthracene analog
Namen und Bezeichner
- Bevorzugter Name
- 1,2-Epoxy-3,4-dihydroxy-1,2,3,4-tetrahydrobenzo(c)phenanthrene
- IUPAC
- 4-oxapentacyclo[9.8.0.02,8.03,5.014,19]nonadeca-1(11),2(8),9,12,14,16,18-heptaene-6,7-diol
- Englischer Name
- 1,2-epoxy-3,4-dihydroxy-1,2,3,4-tetrahydrobenzo(c)phenanthrene
- Summenformel
- C18H14O3
- Molmasse
- 278.3
Namen und Synonyme
BcPhdeB(c)Phde111001-48-03,4-DETBPD-1,2-ETBP1,2-Epoxy-3,4-dihydroxy-1,2,3,4-tetrahydrobenzo(c)phenanthreneBcPh DE cpdRefChem:9067621a,2,3,11d-Tetrahydrobenzo(5,6)phenanthro(3,4-b)oxirene-2,3-diol1a,2,3,11d-Tetrahydrobenzo[5,6]phenanthro[3,4-b]oxirene-2,3-diolB(c)PH diol epoxide-1DTXSID00911940
Weitere Namen anzeigen
Benzo[5,6]phenanthro[3,4-b]oxirene-2,3-diol, 1a,2,3,11d-tetrahydro-
QGMAOLZIDYVIDK-UHFFFAOYSA-NBenzo(c)phenanthrene-3,4-dihydrodiol-1,2-epoxideCHEMBL17432123alpha,4beta-Dihydroxy-1alpha,2alpha-epoxy-1,2,3,4-tetrahydrobenzo(c)phenanthreneBENZO[C]PHENANTHRENE DIOL EPOXIDE(.+/-.)-Benzo(c)phenanthrene-3,4-diol-1,2-epoxide-1trans-3,4-Dihydroxy-anti-1,2,3,4-tetrahydrobenzo[c]phenanthrene1a,2,3,11d-Tetrahydrobenzo[5,6]phenanthro[3,4-b]oxirene-2,3-diol #
Datenbank-Bezeichner
- CAS
111001-48-0- PubChem CID
- 108184
- DTXSID
DTXSID00911940
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2,3
- Polarare Oberfläche (TPSA)
- 53 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 21
- Formalladung
- 0
- Komplexität
- 425
Chemie und Industrie
Pharmakologische Informationen
MeSH Pharmacological ClassificationSubstances that increase the risk of NEOPLASMS in humans or animals. Both genotoxic chemicals, which affect DNA directly, and nongenotoxic chemicals, which induce neoplasms by other mechanism, are included.
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